SCHEMBL6418932

SCHEMBL6418932

CN(Cc1ccc2c(c1)nc(N)n2CC(C)(C)O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.54
INSR P06213 2/20 0.54
BACE1 P56817 2/20 0.46
HRH3 Q9Y5N1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
EGFR P00533 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6418926 0.86 ITK (0.57) ITKINSRBACE1HRH3HRH4
SCHEMBL6273961 0.78 ITK (0.52) ITKINSREGFR
SCHEMBL21310752 0.77 EGFR (0.39) ITKINSRBACE1EGFR
SCHEMBL21310846 0.77 RPS6KA5 (0.47) ITKINSRBACE1EGFR
SCHEMBL21310820 0.77 TLR8 (0.43) ITKINSRBACE1
SCHEMBL6270099 0.76 ITK (0.46) ITKINSREGFR
SCHEMBL14699030 0.75 ITK (0.68) ITKINSR
SCHEMBL14697486 0.74 ITK (0.49) ITKINSR
SCHEMBL21310889 0.74 BACE1 (0.39) ITKINSRBACE1
SCHEMBL21310818 0.73 EGFR (0.48) ITKINSRBACE1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK ITK 2/4885INSR 910/4885BACE1 1163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.